1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-methylpyrazol-3-yl)urea

C15H20FN5O — CID 71978948

IUPAC1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCN(CCNC(=O)Nc1ccn(C)n1)Cc1ccc(F)cc1
InChIInChI=1S/C15H20FN5O/c1-20(11-12-3-5-13(16)6-4-12)10-8-17-15(22)18-14-7-9-21(2)19-14/h3-7,9H,8,10-11H2,1-2H3,(H2,17,18,19,22)
InChIKeyRYSQNULOZXLOKN-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.81
Rot. Bonds6

About 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-methylpyrazol-3-yl)urea

1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-methylpyrazol-3-yl)urea (PubChem CID 71978948) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-methylpyrazol-3-yl)urea
PubChem CID71978948
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCN(CCNC(=O)Nc1ccn(C)n1)Cc1ccc(F)cc1
InChIInChI=1S/C15H20FN5O/c1-20(11-12-3-5-13(16)6-4-12)10-8-17-15(22)18-14-7-9-21(2)19-14/h3-7,9H,8,10-11H2,1-2H3,(H2,17,18,19,22)
InChIKeyRYSQNULOZXLOKN-UHFFFAOYSA-N
XLogP1.81
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-methylpyrazol-3-yl)urea (CID 71978948) is 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-methylpyrazol-3-yl)urea is CN(CCNC(=O)Nc1ccn(C)n1)Cc1ccc(F)cc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is RYSQNULOZXLOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-20(11-12-3-5-13(16)6-4-12)10-8-17-15(22)18-14-7-9-21(2)19-14/h3-7,9H,8,10-11H2,1-2H3,(H2,17,18,19,22).
What are the key properties of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-methylpyrazol-3-yl)urea?
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 305.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 71978948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).